Research/Sitter/MAGNDATA / 0.549_Mn2FeReO6.mcif

Mn₂FeReO₆

MAGNDATA entry 0.549 · source

noncollinear ferrimagnet

Opposite moments of different size leave a net magnetisation.

Structure · 9 properties

Magnetic group	P 1 BNS 2.4
Parent space group	P 2₁/c No. 14
Spins	coplanar · net moment 8.629 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.1905 · b 5.3536 · c 7.5716 Å · α 90° · β 89.861° · γ 90°
Measured at	4 K
Magnetic ions	Fe, Mn, Re
Largest moment component	3.19 μ_B
Method	NPD

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in P 1 →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1_1	Mn	0.9833	0.0584	0.2282	2.05	−2.91	1.3	3.7912
Mn1_2	Mn	0.5167	0.5584	0.2718	−2.05	2.91	−1.3	3.7912
Fe1_1	Fe	0.5	0	0.5	3.19	0	3.19	4.5168
Fe1_2	Fe	0	0.5	0	3.19	0	3.19	4.5168
Re1_1	Re	0.5	0	0.5
Re1_2	Re	0	0.5	0
Re2_1	Re	0.5	0	0	−0.143	0	−0.143	0.2025
Re2_2	Re	0	0.5	0.5	−0.143	0	−0.143	0.2025
Fe2_1	Fe	0.5	0	0
Fe2_2	Fe	0	0.5	0.5
O1_1	O	0.193	0.191	0.931
O1_2	O	0.307	0.691	0.569
O2_1	O	0.175	0.186	0.5598
O2_2	O	0.325	0.686	0.9402
O3_1	O	0.3808	0.9405	0.248
O3_2	O	0.1192	0.4405	0.252

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

M.-R. Li et al. Angew. Chem. Int. Ed. (2015) · doi:10.1002/anie.201506456

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.549_Mn2FeReO6.mcif from MAGNDATA · entry page

sha256 of this copy: 6f7ef07a711593ca9cab4775f88a4d3f07b5f27c993c22eec9552f2e4d030865
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.549_Mn2FeReO6.mcif.